Basic information
- CAS
1155532-31-2- Standard SMILES
CC(C)C(C)N(C)c1ccccc1C#N- InChIKey
VXYGRVYNMNCQMB-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- Benzonitrile, 2-[(1,2-dimethylpropyl)methylamino]-
- IUPAC
- 2-[methyl(3-methylbutan-2-yl)amino]benzonitrile
Names & synonyms
Benzonitrile, 2-[(1,2-dimethylpropyl)methylamino]-DTXSID6012291401155532-31-22-[methyl(3-methylbutan-2-yl)amino]benzonitrile
Database identifiers
- CAS
1155532-31-2- PubChem CID
- 43570331
- DTXSID
DTXSID601229140
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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